smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(OCCOCC[NH2+]CC[NH3+])c([N+](=O)[O-])c1 ZINC000003000466 347975919 /nfs/dbraw/zinc/97/59/19/347975919.db2.gz SYANNMBDECEBDN-UHFFFAOYSA-N 2 1 283.328 0.847 50 5 CCBAMP